{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.592215 0.125073 ] [ 0.75 0.907785 0.625073 ] [ 0.75 0.407785 0.874927 ] [ 0.25 0.092215 0.374927 ] [ 0.25 0.607692 0.404777 ] [ 0.75 0.892308 0.904777 ] [ 0.75 0.392308 0.595223 ] [ 0.25 0.107692 0.095223 ] [ 0.75 0.08539 0.801587 ] [ 0.75 0.58539 0.698413 ] [ 0.25 0.652049 0.867674 ] [ 0.25 0.41461 0.301587 ] [ 0.25 0.210513 0.969119 ] [ 0.25 0.710513 0.530881 ] [ 0.75 0.847951 0.367674 ] [ 0.25 0.152049 0.632326 ] [ 0.75 0.289487 0.469119 ] [ 0.75 0.347951 0.132326 ] [ 0.75 0.789487 0.030881 ] [ 0.25 0.91461 0.198413 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22020712 "source-unit" "angstrom" } "b" { "source-value" 7.46100087 "source-unit" "angstrom" } "c" { "source-value" 18.32271077 "source-unit" "angstrom" } }